Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18257806 | 0.88 | HSP90AA1 (0.58) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL18857006 | 0.88 | HSP90AA1 (0.58) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL11400857 | 0.86 | CYP3A4 (0.68) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL24113842 | 0.86 | HSP90AA1 (0.55) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL24113843 | 0.86 | HSP90AA1 (0.55) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL9458038 | 0.86 | HSP90AA1 (0.57) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL11544305 | 0.82 | HSP90AA1 (0.57) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL28608936 | 0.82 | HSP90AA1 (0.57) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL28602335 | 0.82 | HSP90AA1 (0.57) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 | |
| SCHEMBL18241659 | 0.82 | HSP90AA1 (0.61) | HSP90AA1NPSR1GAAHSD17B10CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3099679-B1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | UNIV CONNECTICUT (US) | 2020-05-20 | — | — | EP | disclosed |
| US-9839636-B2 | Itraconazole analogues and methods of use thereof | UNIVERSITY OF CONNECTICUT (US) | 2017-12-12 | — | — | US | disclosed |
| US-20170209436-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-07-27 | — | — | US | disclosed |
| US-9650365-B2 | Itraconazole analogues and methods of use thereof | UNIVERSITY OF CONNECTICUT (US) | 2017-05-16 | — | — | US | disclosed |
| US-20160340346-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-11-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160340346-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | GLI1, SHH, SMO | HSP90AA1 3321/4885NPSR1 4536/4885GAA 3471/4885 |
| US-20170209436-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | GLI1, SHH, SMO | HSP90AA1 3321/4885NPSR1 4536/4885GAA 3471/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.